Structure Database (LMSD)

Common Name
Aleprylic acid
Systematic Name
7-(2-cyclopentenyl)-heptanoic acid
Synonyms
  • 2-cyclopentene-1-heptanoic acid
  • 7-(2-cyclopenten-1-yl)heptanoic acid
  • 7-(cyclopent-2-enyl)heptanoic acid
LM ID
LMFA01030189
Formula
C12H20O2
Exact Mass
Calculate m/z
196.14633
Sum Composition
FA 12:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Carbocyclic fatty acids [FA0114]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Hydnocarpus (#85204)
Magnoliopsida (#3398)
ALEPRIC AND ALEPRYLIC ACIDS, NEW HOMOLOGS OF CHAULMOOGRIC ACID.,
Science, 1939
Pubmed ID: 17745494

String Representations

InChiKey (Click to copy)
GMYNCKRSFMEXPG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c13-12(14)10-4-2-1-3-7-11-8-5-6-9-11/h5,8,11H,1-4,6-7,9-10H2,(H,13,14)
SMILES (Click to copy)
C1(C=CCC1)CCCCCCC(=O)O

Other Databases

CHEBI ID
187643
LIPIDBANK ID
DFA0260
PubChem CID
5282853
PlantFA ID
10314

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 216.10
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.38
Molar Refractivity 57.20

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Updated at
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